Crystallography Open Database

Information card for entry 7241815

Preview

Coordinates	7241815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67
Calculated formula	C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667
Title of publication	Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores
Authors of publication	Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	569 - 590
a	12.33 ± 0.003 Å
b	18.33 ± 0.004 Å
c	18.92 ± 0.004 Å
α	66.42 ± 0.03°
β	77.02 ± 0.03°
γ	74.7 ± 0.03°
Cell volume	3745.7 ± 1.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261636 (current)	2021-02-05	cif/ Updating files of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 Original log message: Adding full bibliography for 7241796--7241816.cif.	7241815.cif
259856	2020-12-13	cif/ Adding structures of 7241796, 7241797, 7241798, 7241799, 7241800, 7241801, 7241802, 7241803, 7241804, 7241805, 7241806, 7241807, 7241808, 7241809, 7241810, 7241811, 7241812, 7241813, 7241814, 7241815, 7241816 via cif-deposit CGI script.	7241815.cif